4-[(4-bromanyl-2,5-dimethoxy-phenyl)methylamino]butanoic acid

Systemtic Name: 4-[(4-bromanyl-2,5-dimethoxy-phenyl)methylamino]butanoic acid Openeye Name: 4-[(4-bromo-2,5-dimethoxy-phenyl)methylamino]butanoic acid CAS Name: 4-[(4-bromo-2,5-dimethoxyphenyl)methylamino]butanoic acid IUPAC Name: 4-[(4-bromo-2,5-dimethoxyphenyl)methylamino]butanoic acid Traditional Name: 4-[(4-bromo-2,5-dimethoxy-benzyl)amino]butyric acid Formula: C13H18BrNO4 MolecularWeight: 332.19032

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1CNCCCC(=O)O)OC)Br

Isomeric SMILES

COC1=CC(=C(C=C1CNCCCC(=O)O)OC)Br

InChI

InChI=1S/C13H18BrNO4/c1-18-11-7-10(14)12(19-2)6-9(11)8-15-5-3-4-13(16)17/h6-7,15H,3-5,8H2,1-2H3,(H,16,17)